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Lattice dynamics and intermolecular forces in P 4 Se 3 derived from the Raman spectra
Author(s) -
Bougeard Daniel
Publication year - 1989
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1250200910
Subject(s) - raman spectroscopy , intermolecular force , lattice (music) , crystal structure , chemistry , atom (system on chip) , spectral line , lattice energy , molecular physics , crystal (programming language) , empty lattice approximation , atomic physics , crystallography , physics , particle in a one dimensional lattice , diffraction , molecule , reciprocal lattice , quantum mechanics , organic chemistry , computer science , acoustics , embedded system , programming language
The Raman‐active lattice modes of crystalline P 4 Se 3 at room temperature have been calculated in the rigid–body approximation by using estimated atom‐atom potentials for the Se atoms. The agreement is satisfactory and reveals several types of couplings of the different degrees of freedom. The calculated lattice energy is of the correct order of magnitude. The potentials obtained show characteristic features which correlate with the presence of short SeSe distances in the crystal.